(3S)-2-butyl-3-(4-fluorophenyl)sulfanyl-3H-isoindol-1-one

Systemtic Name: (3S)-2-butyl-3-(4-fluorophenyl)sulfanyl-3H-isoindol-1-one Openeye Name: (3S)-2-butyl-3-(4-fluorophenyl)sulfanyl-isoindolin-1-one CAS Name: (3S)-2-butyl-3-[(4-fluorophenyl)thio]-3H-isoindol-1-one IUPAC Name: (3S)-2-butyl-3-(4-fluorophenyl)sulfanyl-3H-isoindol-1-one Traditional Name: (3S)-2-butyl-3-[(4-fluorophenyl)thio]isoindolin-1-one Formula: C18H18FNOS MolecularWeight: 315.405023

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C2=CC=CC=C2C1=O)SC3=CC=C(C=C3)F

Isomeric SMILES

CCCCN1[C@H](C2=CC=CC=C2C1=O)SC3=CC=C(C=C3)F

InChI

InChI=1S/C18H18FNOS/c1-2-3-12-20-17(21)15-6-4-5-7-16(15)18(20)22-14-10-8-13(19)9-11-14/h4-11,18H,2-3,12H2,1H3/t18-/m0/s1